USER MOD reduce.3.24.130724 H: found=0, std=0, add=531, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 526 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 6 SER OG : rot 38:sc= 0.026 USER MOD Set 1.2: A 12 ASN : amide:sc= -9.68! C(o=-9.7!,f=-23!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 39:sc= 0.036 USER MOD Single : A 9 LYS NZ :NH3+ 167:sc= 0.0807 (180deg=0.045) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= -0.0253 X(o=-0.025,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 HIS :FLIP no HE2:sc= -0.103 F(o=-0.68,f=-0.1) USER MOD Single : A 21 CYS SG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= -1.6 K(o=-1.6,f=-2.7!) USER MOD Single : A 30 LYS NZ :NH3+ -160:sc= -0.012 (180deg=-0.331) USER MOD Single : A 35 SER OG : rot -52:sc= 1.21 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= -0.407 USER MOD Single : A 49 CYS SG : rot 67:sc= -0.519 USER MOD Single : A 50 GLN : amide:sc= 0.00337 X(o=0.0034,f=0) USER MOD Single : A 52 LYS NZ :NH3+ -157:sc= -0.0482 (180deg=-0.897) USER MOD Single : A 53 TYR OH : rot -110:sc= 1.6 USER MOD Single : A 54 MET CE :methyl -148:sc= -0.396 (180deg=-1.5!) USER MOD Single : A 56 ASN : amide:sc= -2.29 K(o=-2.3,f=-7.2!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 170:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -0.141 K(o=-0.14,f=-2.8!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HD1:sc= -0.0719 X(o=-0.072,f=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 16.051 -9.231 -19.668 1.00 0.00 N ATOM 2 CA GLY A 1 15.666 -10.234 -20.645 1.00 0.00 C ATOM 3 C GLY A 1 15.072 -11.467 -19.961 1.00 0.00 C ATOM 4 O GLY A 1 15.800 -12.265 -19.372 1.00 0.00 O ATOM 0 H1 GLY A 1 16.451 -8.405 -20.157 1.00 0.00 H new ATOM 0 H2 GLY A 1 15.215 -8.939 -19.122 1.00 0.00 H new ATOM 0 H3 GLY A 1 16.763 -9.630 -19.023 1.00 0.00 H new ATOM 0 HA2 GLY A 1 14.938 -9.812 -21.337 1.00 0.00 H new ATOM 0 HA3 GLY A 1 16.535 -10.525 -21.235 1.00 0.00 H new ATOM 8 N SER A 2 13.756 -11.584 -20.061 1.00 0.00 N ATOM 9 CA SER A 2 13.056 -12.706 -19.459 1.00 0.00 C ATOM 10 C SER A 2 13.543 -12.917 -18.024 1.00 0.00 C ATOM 11 O SER A 2 14.354 -13.805 -17.765 1.00 0.00 O ATOM 12 CB SER A 2 13.253 -13.982 -20.280 1.00 0.00 C ATOM 13 OG SER A 2 12.794 -13.831 -21.620 1.00 0.00 O ATOM 0 H SER A 2 13.156 -10.920 -20.550 1.00 0.00 H new ATOM 0 HA SER A 2 11.990 -12.477 -19.444 1.00 0.00 H new ATOM 0 HB2 SER A 2 14.310 -14.249 -20.287 1.00 0.00 H new ATOM 0 HB3 SER A 2 12.719 -14.805 -19.805 1.00 0.00 H new ATOM 0 HG SER A 2 12.939 -14.666 -22.111 1.00 0.00 H new ATOM 19 N SER A 3 13.028 -12.086 -17.130 1.00 0.00 N ATOM 20 CA SER A 3 13.400 -12.171 -15.728 1.00 0.00 C ATOM 21 C SER A 3 12.153 -12.069 -14.848 1.00 0.00 C ATOM 22 O SER A 3 11.080 -11.702 -15.326 1.00 0.00 O ATOM 23 CB SER A 3 14.403 -11.076 -15.357 1.00 0.00 C ATOM 24 OG SER A 3 15.738 -11.435 -15.703 1.00 0.00 O ATOM 0 H SER A 3 12.356 -11.351 -17.349 1.00 0.00 H new ATOM 0 HA SER A 3 13.878 -13.136 -15.559 1.00 0.00 H new ATOM 0 HB2 SER A 3 14.133 -10.150 -15.865 1.00 0.00 H new ATOM 0 HB3 SER A 3 14.346 -10.880 -14.286 1.00 0.00 H new ATOM 0 HG SER A 3 16.347 -10.710 -15.452 1.00 0.00 H new ATOM 30 N GLY A 4 12.334 -12.400 -13.578 1.00 0.00 N ATOM 31 CA GLY A 4 11.237 -12.350 -12.628 1.00 0.00 C ATOM 32 C GLY A 4 11.484 -11.281 -11.561 1.00 0.00 C ATOM 33 O GLY A 4 12.226 -11.510 -10.608 1.00 0.00 O ATOM 0 H GLY A 4 13.225 -12.704 -13.185 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.306 -12.137 -13.153 1.00 0.00 H new ATOM 0 HA3 GLY A 4 11.119 -13.323 -12.152 1.00 0.00 H new ATOM 37 N SER A 5 10.846 -10.136 -11.758 1.00 0.00 N ATOM 38 CA SER A 5 10.987 -9.032 -10.824 1.00 0.00 C ATOM 39 C SER A 5 9.748 -8.137 -10.882 1.00 0.00 C ATOM 40 O SER A 5 9.107 -8.024 -11.926 1.00 0.00 O ATOM 41 CB SER A 5 12.246 -8.215 -11.124 1.00 0.00 C ATOM 42 OG SER A 5 13.332 -8.578 -10.276 1.00 0.00 O ATOM 0 H SER A 5 10.231 -9.949 -12.550 1.00 0.00 H new ATOM 0 HA SER A 5 11.084 -9.443 -9.819 1.00 0.00 H new ATOM 0 HB2 SER A 5 12.534 -8.362 -12.165 1.00 0.00 H new ATOM 0 HB3 SER A 5 12.028 -7.154 -11.000 1.00 0.00 H new ATOM 0 HG SER A 5 13.330 -9.548 -10.139 1.00 0.00 H new ATOM 48 N SER A 6 9.447 -7.523 -9.747 1.00 0.00 N ATOM 49 CA SER A 6 8.296 -6.641 -9.655 1.00 0.00 C ATOM 50 C SER A 6 8.508 -5.618 -8.537 1.00 0.00 C ATOM 51 O SER A 6 8.856 -5.983 -7.415 1.00 0.00 O ATOM 52 CB SER A 6 7.012 -7.436 -9.411 1.00 0.00 C ATOM 53 OG SER A 6 7.130 -8.311 -8.292 1.00 0.00 O ATOM 0 H SER A 6 9.981 -7.619 -8.883 1.00 0.00 H new ATOM 0 HA SER A 6 8.191 -6.115 -10.604 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.184 -6.746 -9.246 1.00 0.00 H new ATOM 0 HB3 SER A 6 6.770 -8.017 -10.301 1.00 0.00 H new ATOM 0 HG SER A 6 7.658 -7.876 -7.591 1.00 0.00 H new ATOM 59 N GLY A 7 8.289 -4.358 -8.882 1.00 0.00 N ATOM 60 CA GLY A 7 8.452 -3.280 -7.922 1.00 0.00 C ATOM 61 C GLY A 7 7.183 -3.093 -7.087 1.00 0.00 C ATOM 62 O GLY A 7 6.497 -4.063 -6.768 1.00 0.00 O ATOM 0 H GLY A 7 8.000 -4.059 -9.813 1.00 0.00 H new ATOM 0 HA2 GLY A 7 9.295 -3.497 -7.266 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.687 -2.354 -8.446 1.00 0.00 H new ATOM 66 N ASP A 8 6.909 -1.839 -6.758 1.00 0.00 N ATOM 67 CA ASP A 8 5.735 -1.512 -5.967 1.00 0.00 C ATOM 68 C ASP A 8 5.778 -2.294 -4.652 1.00 0.00 C ATOM 69 O ASP A 8 6.773 -2.949 -4.348 1.00 0.00 O ATOM 70 CB ASP A 8 4.450 -1.896 -6.704 1.00 0.00 C ATOM 71 CG ASP A 8 4.319 -1.323 -8.116 1.00 0.00 C ATOM 72 OD1 ASP A 8 4.845 -0.209 -8.328 1.00 0.00 O ATOM 73 OD2 ASP A 8 3.695 -2.012 -8.952 1.00 0.00 O ATOM 0 H ASP A 8 7.480 -1.037 -7.025 1.00 0.00 H new ATOM 0 HA ASP A 8 5.739 -0.437 -5.785 1.00 0.00 H new ATOM 0 HB2 ASP A 8 4.394 -2.983 -6.763 1.00 0.00 H new ATOM 0 HB3 ASP A 8 3.597 -1.564 -6.113 1.00 0.00 H new ATOM 78 N LYS A 9 4.685 -2.199 -3.909 1.00 0.00 N ATOM 79 CA LYS A 9 4.585 -2.889 -2.634 1.00 0.00 C ATOM 80 C LYS A 9 3.589 -4.043 -2.760 1.00 0.00 C ATOM 81 O LYS A 9 3.180 -4.628 -1.758 1.00 0.00 O ATOM 82 CB LYS A 9 4.244 -1.902 -1.516 1.00 0.00 C ATOM 83 CG LYS A 9 2.796 -1.421 -1.633 1.00 0.00 C ATOM 84 CD LYS A 9 2.715 -0.115 -2.426 1.00 0.00 C ATOM 85 CE LYS A 9 1.873 -0.294 -3.691 1.00 0.00 C ATOM 86 NZ LYS A 9 2.352 0.606 -4.764 1.00 0.00 N ATOM 0 H LYS A 9 3.861 -1.655 -4.165 1.00 0.00 H new ATOM 0 HA LYS A 9 5.546 -3.325 -2.361 1.00 0.00 H new ATOM 0 HB2 LYS A 9 4.396 -2.378 -0.547 1.00 0.00 H new ATOM 0 HB3 LYS A 9 4.920 -1.048 -1.561 1.00 0.00 H new ATOM 0 HG2 LYS A 9 2.193 -2.186 -2.123 1.00 0.00 H new ATOM 0 HG3 LYS A 9 2.377 -1.273 -0.638 1.00 0.00 H new ATOM 0 HD2 LYS A 9 2.280 0.667 -1.803 1.00 0.00 H new ATOM 0 HD3 LYS A 9 3.719 0.214 -2.696 1.00 0.00 H new ATOM 0 HE2 LYS A 9 1.926 -1.330 -4.026 1.00 0.00 H new ATOM 0 HE3 LYS A 9 0.826 -0.083 -3.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 1.926 0.324 -5.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 2.079 1.585 -4.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 3.388 0.542 -4.834 1.00 0.00 H new ATOM 100 N GLU A 10 3.228 -4.338 -4.001 1.00 0.00 N ATOM 101 CA GLU A 10 2.288 -5.412 -4.271 1.00 0.00 C ATOM 102 C GLU A 10 3.016 -6.616 -4.873 1.00 0.00 C ATOM 103 O GLU A 10 4.197 -6.529 -5.205 1.00 0.00 O ATOM 104 CB GLU A 10 1.161 -4.936 -5.191 1.00 0.00 C ATOM 105 CG GLU A 10 1.706 -4.536 -6.563 1.00 0.00 C ATOM 106 CD GLU A 10 0.595 -4.535 -7.615 1.00 0.00 C ATOM 107 OE1 GLU A 10 -0.546 -4.196 -7.235 1.00 0.00 O ATOM 108 OE2 GLU A 10 0.913 -4.872 -8.776 1.00 0.00 O ATOM 0 H GLU A 10 3.570 -3.852 -4.830 1.00 0.00 H new ATOM 0 HA GLU A 10 1.837 -5.720 -3.328 1.00 0.00 H new ATOM 0 HB2 GLU A 10 0.422 -5.729 -5.306 1.00 0.00 H new ATOM 0 HB3 GLU A 10 0.650 -4.087 -4.737 1.00 0.00 H new ATOM 0 HG2 GLU A 10 2.157 -3.545 -6.504 1.00 0.00 H new ATOM 0 HG3 GLU A 10 2.494 -5.228 -6.861 1.00 0.00 H new ATOM 115 N TRP A 11 2.280 -7.711 -4.996 1.00 0.00 N ATOM 116 CA TRP A 11 2.841 -8.931 -5.552 1.00 0.00 C ATOM 117 C TRP A 11 2.528 -8.955 -7.049 1.00 0.00 C ATOM 118 O TRP A 11 1.939 -8.014 -7.580 1.00 0.00 O ATOM 119 CB TRP A 11 2.317 -10.163 -4.812 1.00 0.00 C ATOM 120 CG TRP A 11 2.772 -10.253 -3.354 1.00 0.00 C ATOM 121 CD1 TRP A 11 3.238 -9.268 -2.572 1.00 0.00 C ATOM 122 CD2 TRP A 11 2.786 -11.437 -2.529 1.00 0.00 C ATOM 123 NE1 TRP A 11 3.549 -9.730 -1.310 1.00 0.00 N ATOM 124 CE2 TRP A 11 3.265 -11.090 -1.282 1.00 0.00 C ATOM 125 CE3 TRP A 11 2.405 -12.757 -2.826 1.00 0.00 C ATOM 126 CZ2 TRP A 11 3.409 -12.007 -0.234 1.00 0.00 C ATOM 127 CZ3 TRP A 11 2.555 -13.661 -1.768 1.00 0.00 C ATOM 128 CH2 TRP A 11 3.036 -13.328 -0.507 1.00 0.00 C ATOM 0 H TRP A 11 1.300 -7.779 -4.720 1.00 0.00 H new ATOM 0 HA TRP A 11 3.923 -8.952 -5.422 1.00 0.00 H new ATOM 0 HB2 TRP A 11 1.227 -10.156 -4.842 1.00 0.00 H new ATOM 0 HB3 TRP A 11 2.645 -11.058 -5.340 1.00 0.00 H new ATOM 0 HD1 TRP A 11 3.355 -8.243 -2.890 1.00 0.00 H new ATOM 0 HE1 TRP A 11 3.920 -9.175 -0.539 1.00 0.00 H new ATOM 0 HE3 TRP A 11 2.026 -13.050 -3.794 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 3.788 -11.711 0.733 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 2.277 -14.690 -1.944 1.00 0.00 H new ATOM 0 HH2 TRP A 11 3.121 -14.085 0.258 1.00 0.00 H new ATOM 139 N ASN A 12 2.935 -10.041 -7.689 1.00 0.00 N ATOM 140 CA ASN A 12 2.706 -10.200 -9.115 1.00 0.00 C ATOM 141 C ASN A 12 1.956 -11.511 -9.363 1.00 0.00 C ATOM 142 O ASN A 12 2.052 -12.445 -8.569 1.00 0.00 O ATOM 143 CB ASN A 12 4.028 -10.260 -9.883 1.00 0.00 C ATOM 144 CG ASN A 12 4.914 -11.393 -9.362 1.00 0.00 C ATOM 145 OD1 ASN A 12 4.466 -12.308 -8.691 1.00 0.00 O ATOM 146 ND2 ASN A 12 6.194 -11.281 -9.708 1.00 0.00 N ATOM 0 H ASN A 12 3.422 -10.820 -7.246 1.00 0.00 H new ATOM 0 HA ASN A 12 2.127 -9.344 -9.461 1.00 0.00 H new ATOM 0 HB2 ASN A 12 3.830 -10.408 -10.945 1.00 0.00 H new ATOM 0 HB3 ASN A 12 4.553 -9.309 -9.786 1.00 0.00 H new ATOM 0 HD21 ASN A 12 6.867 -11.987 -9.409 1.00 0.00 H new ATOM 0 HD22 ASN A 12 6.502 -10.489 -10.272 1.00 0.00 H new ATOM 153 N GLU A 13 1.226 -11.538 -10.469 1.00 0.00 N ATOM 154 CA GLU A 13 0.460 -12.718 -10.831 1.00 0.00 C ATOM 155 C GLU A 13 1.237 -13.986 -10.472 1.00 0.00 C ATOM 156 O GLU A 13 0.689 -14.904 -9.864 1.00 0.00 O ATOM 157 CB GLU A 13 0.096 -12.700 -12.317 1.00 0.00 C ATOM 158 CG GLU A 13 -1.404 -12.470 -12.511 1.00 0.00 C ATOM 159 CD GLU A 13 -2.043 -13.634 -13.272 1.00 0.00 C ATOM 160 OE1 GLU A 13 -1.571 -14.773 -13.067 1.00 0.00 O ATOM 161 OE2 GLU A 13 -2.990 -13.359 -14.040 1.00 0.00 O ATOM 0 H GLU A 13 1.149 -10.761 -11.126 1.00 0.00 H new ATOM 0 HA GLU A 13 -0.470 -12.712 -10.263 1.00 0.00 H new ATOM 0 HB2 GLU A 13 0.657 -11.914 -12.823 1.00 0.00 H new ATOM 0 HB3 GLU A 13 0.385 -13.645 -12.777 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -1.887 -12.357 -11.540 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -1.565 -11.541 -13.058 1.00 0.00 H new ATOM 168 N LYS A 14 2.503 -13.997 -10.864 1.00 0.00 N ATOM 169 CA LYS A 14 3.361 -15.137 -10.591 1.00 0.00 C ATOM 170 C LYS A 14 3.249 -15.512 -9.112 1.00 0.00 C ATOM 171 O LYS A 14 3.014 -16.672 -8.779 1.00 0.00 O ATOM 172 CB LYS A 14 4.794 -14.850 -11.046 1.00 0.00 C ATOM 173 CG LYS A 14 5.039 -15.388 -12.457 1.00 0.00 C ATOM 174 CD LYS A 14 5.678 -16.777 -12.412 1.00 0.00 C ATOM 175 CE LYS A 14 4.625 -17.871 -12.603 1.00 0.00 C ATOM 176 NZ LYS A 14 4.940 -18.690 -13.795 1.00 0.00 N ATOM 0 H LYS A 14 2.955 -13.234 -11.369 1.00 0.00 H new ATOM 0 HA LYS A 14 3.036 -16.004 -11.165 1.00 0.00 H new ATOM 0 HB2 LYS A 14 4.978 -13.776 -11.026 1.00 0.00 H new ATOM 0 HB3 LYS A 14 5.498 -15.307 -10.351 1.00 0.00 H new ATOM 0 HG2 LYS A 14 4.095 -15.436 -13.001 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.688 -14.703 -13.003 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.437 -16.858 -13.190 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.185 -16.917 -11.457 1.00 0.00 H new ATOM 0 HE2 LYS A 14 4.587 -18.506 -11.718 1.00 0.00 H new ATOM 0 HE3 LYS A 14 3.639 -17.420 -12.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 4.216 -19.428 -13.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 4.954 -18.083 -14.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 5.872 -19.136 -13.674 1.00 0.00 H new ATOM 190 N GLU A 15 3.423 -14.508 -8.265 1.00 0.00 N ATOM 191 CA GLU A 15 3.344 -14.718 -6.830 1.00 0.00 C ATOM 192 C GLU A 15 1.933 -15.159 -6.435 1.00 0.00 C ATOM 193 O GLU A 15 1.749 -16.241 -5.879 1.00 0.00 O ATOM 194 CB GLU A 15 3.758 -13.458 -6.068 1.00 0.00 C ATOM 195 CG GLU A 15 5.246 -13.162 -6.266 1.00 0.00 C ATOM 196 CD GLU A 15 5.491 -11.658 -6.406 1.00 0.00 C ATOM 197 OE1 GLU A 15 4.793 -10.900 -5.698 1.00 0.00 O ATOM 198 OE2 GLU A 15 6.372 -11.300 -7.217 1.00 0.00 O ATOM 0 H GLU A 15 3.618 -13.547 -8.545 1.00 0.00 H new ATOM 0 HA GLU A 15 4.041 -15.512 -6.560 1.00 0.00 H new ATOM 0 HB2 GLU A 15 3.166 -12.610 -6.412 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.547 -13.585 -5.006 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.813 -13.549 -5.420 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.608 -13.678 -7.155 1.00 0.00 H new ATOM 205 N LEU A 16 0.972 -14.298 -6.737 1.00 0.00 N ATOM 206 CA LEU A 16 -0.417 -14.585 -6.420 1.00 0.00 C ATOM 207 C LEU A 16 -0.716 -16.051 -6.739 1.00 0.00 C ATOM 208 O LEU A 16 -0.906 -16.861 -5.833 1.00 0.00 O ATOM 209 CB LEU A 16 -1.344 -13.599 -7.133 1.00 0.00 C ATOM 210 CG LEU A 16 -1.426 -12.197 -6.527 1.00 0.00 C ATOM 211 CD1 LEU A 16 -1.903 -12.254 -5.074 1.00 0.00 C ATOM 212 CD2 LEU A 16 -0.091 -11.462 -6.663 1.00 0.00 C ATOM 0 H LEU A 16 1.128 -13.401 -7.198 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.601 -14.446 -5.355 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.016 -13.507 -8.169 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.348 -14.024 -7.153 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.167 -11.626 -7.087 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.952 -11.244 -4.667 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.892 -12.710 -5.033 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.205 -12.849 -4.485 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.177 -10.468 -6.224 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.687 -12.022 -6.144 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.169 -11.372 -7.718 1.00 0.00 H new ATOM 224 N GLN A 17 -0.748 -16.348 -8.030 1.00 0.00 N ATOM 225 CA GLN A 17 -1.021 -17.702 -8.480 1.00 0.00 C ATOM 226 C GLN A 17 -0.215 -18.708 -7.656 1.00 0.00 C ATOM 227 O GLN A 17 -0.705 -19.790 -7.337 1.00 0.00 O ATOM 228 CB GLN A 17 -0.723 -17.854 -9.973 1.00 0.00 C ATOM 229 CG GLN A 17 0.782 -17.950 -10.226 1.00 0.00 C ATOM 230 CD GLN A 17 1.072 -18.317 -11.683 1.00 0.00 C ATOM 231 OE1 GLN A 17 0.663 -17.642 -12.613 1.00 0.00 O ATOM 232 NE2 GLN A 17 1.799 -19.421 -11.828 1.00 0.00 N ATOM 0 H GLN A 17 -0.589 -15.674 -8.779 1.00 0.00 H new ATOM 0 HA GLN A 17 -2.081 -17.906 -8.331 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -1.217 -18.746 -10.357 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -1.133 -17.003 -10.517 1.00 0.00 H new ATOM 0 HG2 GLN A 17 1.256 -16.998 -9.986 1.00 0.00 H new ATOM 0 HG3 GLN A 17 1.218 -18.699 -9.565 1.00 0.00 H new ATOM 0 HE21 GLN A 17 2.109 -19.939 -11.006 1.00 0.00 H new ATOM 0 HE22 GLN A 17 2.047 -19.750 -12.761 1.00 0.00 H new ATOM 241 N LYS A 18 1.009 -18.315 -7.334 1.00 0.00 N ATOM 242 CA LYS A 18 1.888 -19.169 -6.552 1.00 0.00 C ATOM 243 C LYS A 18 1.330 -19.306 -5.134 1.00 0.00 C ATOM 244 O LYS A 18 1.375 -20.386 -4.548 1.00 0.00 O ATOM 245 CB LYS A 18 3.325 -18.645 -6.600 1.00 0.00 C ATOM 246 CG LYS A 18 4.081 -19.227 -7.795 1.00 0.00 C ATOM 247 CD LYS A 18 5.593 -19.162 -7.572 1.00 0.00 C ATOM 248 CE LYS A 18 6.269 -18.298 -8.638 1.00 0.00 C ATOM 249 NZ LYS A 18 7.081 -19.137 -9.547 1.00 0.00 N ATOM 0 H LYS A 18 1.413 -17.417 -7.600 1.00 0.00 H new ATOM 0 HA LYS A 18 1.924 -20.171 -6.979 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.317 -17.557 -6.665 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.842 -18.905 -5.676 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.777 -20.262 -7.953 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.819 -18.677 -8.699 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.801 -18.754 -6.583 1.00 0.00 H new ATOM 0 HD3 LYS A 18 6.011 -20.168 -7.596 1.00 0.00 H new ATOM 0 HE2 LYS A 18 5.514 -17.758 -9.209 1.00 0.00 H new ATOM 0 HE3 LYS A 18 6.902 -17.550 -8.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 7.533 -18.535 -10.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 7.814 -19.633 -9.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 6.468 -19.834 -10.016 1.00 0.00 H new ATOM 263 N LEU A 19 0.816 -18.196 -4.625 1.00 0.00 N ATOM 264 CA LEU A 19 0.250 -18.179 -3.287 1.00 0.00 C ATOM 265 C LEU A 19 -1.056 -18.976 -3.280 1.00 0.00 C ATOM 266 O LEU A 19 -1.229 -19.885 -2.469 1.00 0.00 O ATOM 267 CB LEU A 19 0.095 -16.741 -2.789 1.00 0.00 C ATOM 268 CG LEU A 19 -0.722 -16.559 -1.508 1.00 0.00 C ATOM 269 CD1 LEU A 19 0.011 -17.149 -0.302 1.00 0.00 C ATOM 270 CD2 LEU A 19 -1.085 -15.088 -1.294 1.00 0.00 C ATOM 0 H LEU A 19 0.780 -17.302 -5.115 1.00 0.00 H new ATOM 0 HA LEU A 19 0.925 -18.665 -2.582 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.089 -16.325 -2.624 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.370 -16.152 -3.580 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.657 -17.109 -1.618 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.591 -17.006 0.595 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.177 -18.214 -0.462 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.971 -16.647 -0.178 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.665 -14.986 -0.377 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.173 -14.496 -1.214 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.675 -14.732 -2.138 1.00 0.00 H new ATOM 282 N HIS A 20 -1.942 -18.606 -4.193 1.00 0.00 N ATOM 283 CA HIS A 20 -3.227 -19.275 -4.303 1.00 0.00 C ATOM 284 C HIS A 20 -3.010 -20.753 -4.636 1.00 0.00 C ATOM 285 O HIS A 20 -3.540 -21.631 -3.957 1.00 0.00 O ATOM 286 CB HIS A 20 -4.125 -18.565 -5.317 1.00 0.00 C ATOM 287 CG HIS A 20 -4.472 -17.144 -4.941 1.00 0.00 C ATOM 288 ND1 HIS A 20 -3.671 -16.078 -4.651 1.00 0.00 N flip ATOM 289 CD2 HIS A 20 -5.776 -16.694 -4.831 1.00 0.00 C flip ATOM 290 CE1 HIS A 20 -4.445 -15.034 -4.379 1.00 0.00 C flip ATOM 291 NE2 HIS A 20 -5.750 -15.414 -4.490 1.00 0.00 N flip ATOM 0 H HIS A 20 -1.795 -17.851 -4.863 1.00 0.00 H new ATOM 0 HA HIS A 20 -3.748 -19.226 -3.347 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -3.629 -18.562 -6.287 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -5.047 -19.135 -5.432 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -2.651 -16.082 -4.644 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -6.664 -17.286 -4.995 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -4.098 -14.046 -4.114 1.00 0.00 H new ATOM 299 N CYS A 21 -2.229 -20.982 -5.681 1.00 0.00 N ATOM 300 CA CYS A 21 -1.935 -22.338 -6.113 1.00 0.00 C ATOM 301 C CYS A 21 -1.567 -23.165 -4.880 1.00 0.00 C ATOM 302 O CYS A 21 -2.333 -24.029 -4.456 1.00 0.00 O ATOM 303 CB CYS A 21 -0.830 -22.368 -7.171 1.00 0.00 C ATOM 304 SG CYS A 21 -0.440 -24.098 -7.620 1.00 0.00 S ATOM 0 H CYS A 21 -1.791 -20.251 -6.242 1.00 0.00 H new ATOM 0 HA CYS A 21 -2.815 -22.770 -6.590 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -1.148 -21.817 -8.056 1.00 0.00 H new ATOM 0 HB3 CYS A 21 0.063 -21.872 -6.790 1.00 0.00 H new ATOM 0 HG CYS A 21 0.498 -24.112 -8.520 1.00 0.00 H new ATOM 310 N ALA A 22 -0.394 -22.872 -4.338 1.00 0.00 N ATOM 311 CA ALA A 22 0.085 -23.578 -3.162 1.00 0.00 C ATOM 312 C ALA A 22 -1.031 -23.635 -2.117 1.00 0.00 C ATOM 313 O ALA A 22 -1.355 -24.707 -1.608 1.00 0.00 O ATOM 314 CB ALA A 22 1.346 -22.891 -2.633 1.00 0.00 C ATOM 0 H ALA A 22 0.239 -22.155 -4.692 1.00 0.00 H new ATOM 0 HA ALA A 22 0.354 -24.604 -3.413 1.00 0.00 H new ATOM 0 HB1 ALA A 22 1.706 -23.420 -1.751 1.00 0.00 H new ATOM 0 HB2 ALA A 22 2.117 -22.903 -3.403 1.00 0.00 H new ATOM 0 HB3 ALA A 22 1.114 -21.859 -2.368 1.00 0.00 H new ATOM 320 N PHE A 23 -1.588 -22.468 -1.829 1.00 0.00 N ATOM 321 CA PHE A 23 -2.661 -22.372 -0.854 1.00 0.00 C ATOM 322 C PHE A 23 -3.777 -23.370 -1.166 1.00 0.00 C ATOM 323 O PHE A 23 -4.449 -23.859 -0.260 1.00 0.00 O ATOM 324 CB PHE A 23 -3.222 -20.951 -0.945 1.00 0.00 C ATOM 325 CG PHE A 23 -4.592 -20.780 -0.286 1.00 0.00 C ATOM 326 CD1 PHE A 23 -4.677 -20.477 1.037 1.00 0.00 C ATOM 327 CD2 PHE A 23 -5.725 -20.931 -1.023 1.00 0.00 C ATOM 328 CE1 PHE A 23 -5.948 -20.318 1.650 1.00 0.00 C ATOM 329 CE2 PHE A 23 -6.997 -20.772 -0.411 1.00 0.00 C ATOM 330 CZ PHE A 23 -7.081 -20.469 0.913 1.00 0.00 C ATOM 0 H PHE A 23 -1.317 -21.581 -2.254 1.00 0.00 H new ATOM 0 HA PHE A 23 -2.280 -22.596 0.142 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -2.517 -20.263 -0.479 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -3.297 -20.667 -1.995 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -3.777 -20.357 1.622 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -5.658 -21.172 -2.074 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -6.015 -20.077 2.701 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -7.897 -20.892 -0.996 1.00 0.00 H new ATOM 0 HZ PHE A 23 -8.048 -20.348 1.379 1.00 0.00 H new ATOM 340 N ALA A 24 -3.941 -23.642 -2.453 1.00 0.00 N ATOM 341 CA ALA A 24 -4.965 -24.573 -2.897 1.00 0.00 C ATOM 342 C ALA A 24 -4.397 -25.993 -2.882 1.00 0.00 C ATOM 343 O ALA A 24 -4.963 -26.886 -2.253 1.00 0.00 O ATOM 344 CB ALA A 24 -5.465 -24.159 -4.282 1.00 0.00 C ATOM 0 H ALA A 24 -3.382 -23.234 -3.202 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.821 -24.553 -2.223 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.233 -24.857 -4.615 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -5.885 -23.154 -4.232 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.634 -24.170 -4.987 1.00 0.00 H new ATOM 350 N SER A 25 -3.285 -26.159 -3.584 1.00 0.00 N ATOM 351 CA SER A 25 -2.634 -27.456 -3.660 1.00 0.00 C ATOM 352 C SER A 25 -2.384 -27.999 -2.251 1.00 0.00 C ATOM 353 O SER A 25 -2.780 -29.121 -1.936 1.00 0.00 O ATOM 354 CB SER A 25 -1.318 -27.367 -4.435 1.00 0.00 C ATOM 355 OG SER A 25 -1.364 -28.110 -5.651 1.00 0.00 O ATOM 0 H SER A 25 -2.819 -25.417 -4.105 1.00 0.00 H new ATOM 0 HA SER A 25 -3.294 -28.139 -4.195 1.00 0.00 H new ATOM 0 HB2 SER A 25 -1.097 -26.323 -4.656 1.00 0.00 H new ATOM 0 HB3 SER A 25 -0.505 -27.740 -3.813 1.00 0.00 H new ATOM 0 HG SER A 25 -0.506 -28.027 -6.118 1.00 0.00 H new ATOM 361 N LEU A 26 -1.730 -27.179 -1.442 1.00 0.00 N ATOM 362 CA LEU A 26 -1.423 -27.564 -0.075 1.00 0.00 C ATOM 363 C LEU A 26 -2.667 -27.374 0.795 1.00 0.00 C ATOM 364 O LEU A 26 -3.446 -26.447 0.577 1.00 0.00 O ATOM 365 CB LEU A 26 -0.196 -26.804 0.432 1.00 0.00 C ATOM 366 CG LEU A 26 1.152 -27.248 -0.140 1.00 0.00 C ATOM 367 CD1 LEU A 26 2.096 -26.056 -0.309 1.00 0.00 C ATOM 368 CD2 LEU A 26 1.773 -28.355 0.715 1.00 0.00 C ATOM 0 H LEU A 26 -1.404 -26.249 -1.707 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.158 -28.620 -0.026 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.332 -25.746 0.210 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.157 -26.899 1.517 1.00 0.00 H new ATOM 0 HG LEU A 26 0.981 -27.666 -1.132 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.047 -26.400 -0.717 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.649 -25.332 -0.990 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.266 -25.586 0.660 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.730 -28.652 0.286 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.928 -27.988 1.729 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.104 -29.215 0.739 1.00 0.00 H new ATOM 380 N PRO A 27 -2.819 -28.289 1.789 1.00 0.00 N ATOM 381 CA PRO A 27 -3.955 -28.232 2.693 1.00 0.00 C ATOM 382 C PRO A 27 -3.788 -27.102 3.712 1.00 0.00 C ATOM 383 O PRO A 27 -2.666 -26.720 4.042 1.00 0.00 O ATOM 384 CB PRO A 27 -4.016 -29.608 3.336 1.00 0.00 C ATOM 385 CG PRO A 27 -2.646 -30.230 3.121 1.00 0.00 C ATOM 386 CD PRO A 27 -1.916 -29.400 2.077 1.00 0.00 C ATOM 0 HA PRO A 27 -4.890 -28.005 2.180 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -4.248 -29.533 4.398 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -4.797 -30.217 2.881 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -2.084 -30.249 4.055 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -2.744 -31.263 2.787 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -0.957 -29.044 2.454 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -1.709 -29.984 1.181 1.00 0.00 H new ATOM 394 N LYS A 28 -4.920 -26.600 4.182 1.00 0.00 N ATOM 395 CA LYS A 28 -4.913 -25.522 5.156 1.00 0.00 C ATOM 396 C LYS A 28 -4.970 -26.115 6.566 1.00 0.00 C ATOM 397 O LYS A 28 -4.955 -25.381 7.552 1.00 0.00 O ATOM 398 CB LYS A 28 -6.037 -24.527 4.862 1.00 0.00 C ATOM 399 CG LYS A 28 -5.782 -23.784 3.549 1.00 0.00 C ATOM 400 CD LYS A 28 -6.137 -24.660 2.345 1.00 0.00 C ATOM 401 CE LYS A 28 -7.048 -23.910 1.372 1.00 0.00 C ATOM 402 NZ LYS A 28 -7.989 -24.847 0.717 1.00 0.00 N ATOM 0 H LYS A 28 -5.849 -26.920 3.906 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.987 -24.951 5.086 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.989 -25.055 4.806 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.117 -23.811 5.680 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.373 -22.869 3.524 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -4.734 -23.488 3.492 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -5.225 -24.967 1.832 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -6.632 -25.569 2.686 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -7.605 -23.140 1.906 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -6.446 -23.403 0.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -8.600 -24.322 0.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -7.453 -25.567 0.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -8.576 -25.311 1.439 1.00 0.00 H new ATOM 416 N HIS A 29 -5.034 -27.437 6.615 1.00 0.00 N ATOM 417 CA HIS A 29 -5.093 -28.137 7.887 1.00 0.00 C ATOM 418 C HIS A 29 -3.674 -28.452 8.366 1.00 0.00 C ATOM 419 O HIS A 29 -3.488 -28.976 9.463 1.00 0.00 O ATOM 420 CB HIS A 29 -5.974 -29.383 7.782 1.00 0.00 C ATOM 421 CG HIS A 29 -5.276 -30.579 7.180 1.00 0.00 C ATOM 422 ND1 HIS A 29 -5.411 -30.935 5.849 1.00 0.00 N ATOM 423 CD2 HIS A 29 -4.435 -31.496 7.740 1.00 0.00 C ATOM 424 CE1 HIS A 29 -4.681 -32.019 5.630 1.00 0.00 C ATOM 425 NE2 HIS A 29 -4.077 -32.365 6.803 1.00 0.00 N ATOM 0 H HIS A 29 -5.046 -28.042 5.794 1.00 0.00 H new ATOM 0 HA HIS A 29 -5.558 -27.497 8.637 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -6.332 -29.647 8.777 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -6.851 -29.146 7.180 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -4.115 -31.512 8.771 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -4.582 -32.538 4.688 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -3.453 -33.161 6.938 1.00 0.00 H new ATOM 433 N LYS A 30 -2.711 -28.119 7.520 1.00 0.00 N ATOM 434 CA LYS A 30 -1.315 -28.360 7.842 1.00 0.00 C ATOM 435 C LYS A 30 -0.841 -27.312 8.852 1.00 0.00 C ATOM 436 O LYS A 30 -1.470 -26.266 9.008 1.00 0.00 O ATOM 437 CB LYS A 30 -0.471 -28.411 6.567 1.00 0.00 C ATOM 438 CG LYS A 30 -0.076 -29.849 6.229 1.00 0.00 C ATOM 439 CD LYS A 30 1.109 -29.879 5.261 1.00 0.00 C ATOM 440 CE LYS A 30 1.676 -31.294 5.131 1.00 0.00 C ATOM 441 NZ LYS A 30 2.345 -31.701 6.388 1.00 0.00 N ATOM 0 H LYS A 30 -2.870 -27.684 6.611 1.00 0.00 H new ATOM 0 HA LYS A 30 -1.196 -29.335 8.314 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -1.032 -27.980 5.738 1.00 0.00 H new ATOM 0 HB3 LYS A 30 0.425 -27.804 6.695 1.00 0.00 H new ATOM 0 HG2 LYS A 30 0.183 -30.383 7.143 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -0.925 -30.369 5.786 1.00 0.00 H new ATOM 0 HD2 LYS A 30 0.792 -29.519 4.282 1.00 0.00 H new ATOM 0 HD3 LYS A 30 1.888 -29.202 5.613 1.00 0.00 H new ATOM 0 HE2 LYS A 30 0.874 -31.994 4.896 1.00 0.00 H new ATOM 0 HE3 LYS A 30 2.386 -31.333 4.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 3.000 -32.485 6.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 2.875 -30.895 6.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 1.630 -32.010 7.078 1.00 0.00 H new ATOM 455 N PRO A 31 0.293 -27.637 9.528 1.00 0.00 N ATOM 456 CA PRO A 31 0.858 -26.736 10.518 1.00 0.00 C ATOM 457 C PRO A 31 1.557 -25.552 9.847 1.00 0.00 C ATOM 458 O PRO A 31 1.055 -24.430 9.880 1.00 0.00 O ATOM 459 CB PRO A 31 1.804 -27.597 11.339 1.00 0.00 C ATOM 460 CG PRO A 31 2.086 -28.828 10.494 1.00 0.00 C ATOM 461 CD PRO A 31 1.064 -28.866 9.370 1.00 0.00 C ATOM 0 HA PRO A 31 0.099 -26.282 11.155 1.00 0.00 H new ATOM 0 HB2 PRO A 31 2.725 -27.059 11.565 1.00 0.00 H new ATOM 0 HB3 PRO A 31 1.353 -27.873 12.292 1.00 0.00 H new ATOM 0 HG2 PRO A 31 3.097 -28.790 10.089 1.00 0.00 H new ATOM 0 HG3 PRO A 31 2.020 -29.731 11.101 1.00 0.00 H new ATOM 0 HD2 PRO A 31 1.549 -28.906 8.395 1.00 0.00 H new ATOM 0 HD3 PRO A 31 0.426 -29.746 9.445 1.00 0.00 H new ATOM 469 N GLY A 32 2.705 -25.844 9.252 1.00 0.00 N ATOM 470 CA GLY A 32 3.478 -24.818 8.574 1.00 0.00 C ATOM 471 C GLY A 32 2.937 -24.566 7.165 1.00 0.00 C ATOM 472 O GLY A 32 3.698 -24.551 6.198 1.00 0.00 O ATOM 0 H GLY A 32 3.118 -26.776 9.226 1.00 0.00 H new ATOM 0 HA2 GLY A 32 3.447 -23.893 9.150 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.523 -25.123 8.517 1.00 0.00 H new ATOM 476 N PHE A 33 1.628 -24.374 7.093 1.00 0.00 N ATOM 477 CA PHE A 33 0.977 -24.124 5.818 1.00 0.00 C ATOM 478 C PHE A 33 1.668 -22.986 5.064 1.00 0.00 C ATOM 479 O PHE A 33 1.876 -23.075 3.855 1.00 0.00 O ATOM 480 CB PHE A 33 -0.465 -23.715 6.125 1.00 0.00 C ATOM 481 CG PHE A 33 -1.274 -23.314 4.890 1.00 0.00 C ATOM 482 CD1 PHE A 33 -1.472 -24.210 3.886 1.00 0.00 C ATOM 483 CD2 PHE A 33 -1.795 -22.061 4.796 1.00 0.00 C ATOM 484 CE1 PHE A 33 -2.223 -23.837 2.740 1.00 0.00 C ATOM 485 CE2 PHE A 33 -2.547 -21.689 3.650 1.00 0.00 C ATOM 486 CZ PHE A 33 -2.745 -22.585 2.646 1.00 0.00 C ATOM 0 H PHE A 33 1.000 -24.387 7.897 1.00 0.00 H new ATOM 0 HA PHE A 33 1.023 -25.017 5.195 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -0.969 -24.543 6.623 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -0.454 -22.881 6.826 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -1.058 -25.205 3.960 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.637 -21.349 5.593 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.380 -24.548 1.943 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -2.962 -20.695 3.576 1.00 0.00 H new ATOM 0 HZ PHE A 33 -3.317 -22.302 1.774 1.00 0.00 H new ATOM 496 N TRP A 34 2.004 -21.943 5.809 1.00 0.00 N ATOM 497 CA TRP A 34 2.668 -20.790 5.225 1.00 0.00 C ATOM 498 C TRP A 34 4.014 -21.252 4.664 1.00 0.00 C ATOM 499 O TRP A 34 4.308 -21.036 3.489 1.00 0.00 O ATOM 500 CB TRP A 34 2.802 -19.660 6.248 1.00 0.00 C ATOM 501 CG TRP A 34 1.478 -18.982 6.604 1.00 0.00 C ATOM 502 CD1 TRP A 34 0.952 -18.788 7.822 1.00 0.00 C ATOM 503 CD2 TRP A 34 0.526 -18.413 5.680 1.00 0.00 C ATOM 504 NE1 TRP A 34 -0.264 -18.138 7.750 1.00 0.00 N ATOM 505 CE2 TRP A 34 -0.531 -17.903 6.406 1.00 0.00 C ATOM 506 CE3 TRP A 34 0.558 -18.332 4.277 1.00 0.00 C ATOM 507 CZ2 TRP A 34 -1.635 -17.277 5.816 1.00 0.00 C ATOM 508 CZ3 TRP A 34 -0.553 -17.703 3.702 1.00 0.00 C ATOM 509 CH2 TRP A 34 -1.625 -17.185 4.419 1.00 0.00 C ATOM 0 H TRP A 34 1.829 -21.872 6.811 1.00 0.00 H new ATOM 0 HA TRP A 34 2.076 -20.376 4.409 1.00 0.00 H new ATOM 0 HB2 TRP A 34 3.250 -20.059 7.158 1.00 0.00 H new ATOM 0 HB3 TRP A 34 3.489 -18.909 5.857 1.00 0.00 H new ATOM 0 HD1 TRP A 34 1.421 -19.101 8.743 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -0.857 -17.878 8.538 1.00 0.00 H new ATOM 0 HE3 TRP A 34 1.375 -18.724 3.689 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -2.450 -16.886 6.406 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -0.579 -17.614 2.626 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -2.447 -16.713 3.901 1.00 0.00 H new ATOM 520 N SER A 35 4.796 -21.879 5.530 1.00 0.00 N ATOM 521 CA SER A 35 6.104 -22.373 5.136 1.00 0.00 C ATOM 522 C SER A 35 5.988 -23.189 3.847 1.00 0.00 C ATOM 523 O SER A 35 6.911 -23.205 3.033 1.00 0.00 O ATOM 524 CB SER A 35 6.730 -23.220 6.246 1.00 0.00 C ATOM 525 OG SER A 35 6.434 -24.606 6.092 1.00 0.00 O ATOM 0 H SER A 35 4.549 -22.056 6.504 1.00 0.00 H new ATOM 0 HA SER A 35 6.754 -21.516 4.959 1.00 0.00 H new ATOM 0 HB2 SER A 35 7.811 -23.078 6.245 1.00 0.00 H new ATOM 0 HB3 SER A 35 6.365 -22.877 7.214 1.00 0.00 H new ATOM 0 HG SER A 35 5.467 -24.724 5.985 1.00 0.00 H new ATOM 531 N GLU A 36 4.848 -23.847 3.701 1.00 0.00 N ATOM 532 CA GLU A 36 4.599 -24.663 2.525 1.00 0.00 C ATOM 533 C GLU A 36 4.321 -23.774 1.311 1.00 0.00 C ATOM 534 O GLU A 36 5.088 -23.773 0.349 1.00 0.00 O ATOM 535 CB GLU A 36 3.445 -25.638 2.767 1.00 0.00 C ATOM 536 CG GLU A 36 3.831 -26.700 3.798 1.00 0.00 C ATOM 537 CD GLU A 36 2.790 -27.820 3.847 1.00 0.00 C ATOM 538 OE1 GLU A 36 1.588 -27.478 3.866 1.00 0.00 O ATOM 539 OE2 GLU A 36 3.220 -28.994 3.864 1.00 0.00 O ATOM 0 H GLU A 36 4.085 -23.832 4.378 1.00 0.00 H new ATOM 0 HA GLU A 36 5.492 -25.253 2.321 1.00 0.00 H new ATOM 0 HB2 GLU A 36 2.569 -25.091 3.114 1.00 0.00 H new ATOM 0 HB3 GLU A 36 3.169 -26.120 1.829 1.00 0.00 H new ATOM 0 HG2 GLU A 36 4.807 -27.116 3.549 1.00 0.00 H new ATOM 0 HG3 GLU A 36 3.923 -26.240 4.782 1.00 0.00 H new ATOM 546 N VAL A 37 3.222 -23.040 1.395 1.00 0.00 N ATOM 547 CA VAL A 37 2.833 -22.148 0.316 1.00 0.00 C ATOM 548 C VAL A 37 3.999 -21.215 -0.014 1.00 0.00 C ATOM 549 O VAL A 37 4.096 -20.707 -1.130 1.00 0.00 O ATOM 550 CB VAL A 37 1.554 -21.397 0.692 1.00 0.00 C ATOM 551 CG1 VAL A 37 0.542 -22.335 1.354 1.00 0.00 C ATOM 552 CG2 VAL A 37 1.866 -20.202 1.595 1.00 0.00 C ATOM 0 H VAL A 37 2.588 -23.045 2.194 1.00 0.00 H new ATOM 0 HA VAL A 37 2.606 -22.717 -0.586 1.00 0.00 H new ATOM 0 HB VAL A 37 1.107 -21.016 -0.226 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.358 -21.776 1.611 1.00 0.00 H new ATOM 0 HG12 VAL A 37 0.285 -23.139 0.664 1.00 0.00 H new ATOM 0 HG13 VAL A 37 0.977 -22.759 2.259 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.940 -19.685 1.848 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.347 -20.552 2.508 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.533 -19.516 1.073 1.00 0.00 H new ATOM 562 N ALA A 38 4.856 -21.017 0.977 1.00 0.00 N ATOM 563 CA ALA A 38 6.012 -20.153 0.806 1.00 0.00 C ATOM 564 C ALA A 38 7.060 -20.874 -0.044 1.00 0.00 C ATOM 565 O ALA A 38 7.907 -20.234 -0.665 1.00 0.00 O ATOM 566 CB ALA A 38 6.553 -19.747 2.178 1.00 0.00 C ATOM 0 H ALA A 38 4.773 -21.440 1.901 1.00 0.00 H new ATOM 0 HA ALA A 38 5.734 -19.239 0.282 1.00 0.00 H new ATOM 0 HB1 ALA A 38 7.420 -19.099 2.050 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.780 -19.214 2.731 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.845 -20.639 2.732 1.00 0.00 H new ATOM 572 N ALA A 39 6.969 -22.196 -0.043 1.00 0.00 N ATOM 573 CA ALA A 39 7.899 -23.010 -0.807 1.00 0.00 C ATOM 574 C ALA A 39 7.769 -22.669 -2.292 1.00 0.00 C ATOM 575 O ALA A 39 8.751 -22.307 -2.938 1.00 0.00 O ATOM 576 CB ALA A 39 7.633 -24.490 -0.523 1.00 0.00 C ATOM 0 H ALA A 39 6.266 -22.723 0.475 1.00 0.00 H new ATOM 0 HA ALA A 39 8.927 -22.800 -0.510 1.00 0.00 H new ATOM 0 HB1 ALA A 39 8.330 -25.101 -1.096 1.00 0.00 H new ATOM 0 HB2 ALA A 39 7.767 -24.686 0.541 1.00 0.00 H new ATOM 0 HB3 ALA A 39 6.612 -24.738 -0.811 1.00 0.00 H new ATOM 582 N ALA A 40 6.548 -22.795 -2.791 1.00 0.00 N ATOM 583 CA ALA A 40 6.277 -22.505 -4.189 1.00 0.00 C ATOM 584 C ALA A 40 6.262 -20.989 -4.396 1.00 0.00 C ATOM 585 O ALA A 40 6.546 -20.506 -5.491 1.00 0.00 O ATOM 586 CB ALA A 40 4.958 -23.162 -4.601 1.00 0.00 C ATOM 0 H ALA A 40 5.735 -23.094 -2.252 1.00 0.00 H new ATOM 0 HA ALA A 40 7.060 -22.918 -4.825 1.00 0.00 H new ATOM 0 HB1 ALA A 40 4.755 -22.944 -5.650 1.00 0.00 H new ATOM 0 HB2 ALA A 40 5.030 -24.241 -4.462 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.148 -22.770 -3.986 1.00 0.00 H new ATOM 592 N VAL A 41 5.929 -20.280 -3.328 1.00 0.00 N ATOM 593 CA VAL A 41 5.874 -18.829 -3.379 1.00 0.00 C ATOM 594 C VAL A 41 7.232 -18.257 -2.969 1.00 0.00 C ATOM 595 O VAL A 41 7.368 -17.050 -2.775 1.00 0.00 O ATOM 596 CB VAL A 41 4.723 -18.318 -2.510 1.00 0.00 C ATOM 597 CG1 VAL A 41 4.717 -16.789 -2.451 1.00 0.00 C ATOM 598 CG2 VAL A 41 3.379 -18.853 -3.009 1.00 0.00 C ATOM 0 H VAL A 41 5.694 -20.684 -2.421 1.00 0.00 H new ATOM 0 HA VAL A 41 5.672 -18.490 -4.395 1.00 0.00 H new ATOM 0 HB VAL A 41 4.877 -18.692 -1.498 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.889 -16.452 -1.827 1.00 0.00 H new ATOM 0 HG12 VAL A 41 5.658 -16.438 -2.027 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.600 -16.387 -3.457 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.578 -18.475 -2.374 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.215 -18.524 -4.035 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.386 -19.942 -2.974 1.00 0.00 H new ATOM 608 N GLY A 42 8.203 -19.150 -2.850 1.00 0.00 N ATOM 609 CA GLY A 42 9.546 -18.749 -2.468 1.00 0.00 C ATOM 610 C GLY A 42 9.782 -17.267 -2.767 1.00 0.00 C ATOM 611 O GLY A 42 10.370 -16.553 -1.957 1.00 0.00 O ATOM 0 H GLY A 42 8.086 -20.150 -3.011 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.697 -18.938 -1.405 1.00 0.00 H new ATOM 0 HA3 GLY A 42 10.277 -19.353 -3.006 1.00 0.00 H new ATOM 615 N SER A 43 9.312 -16.850 -3.933 1.00 0.00 N ATOM 616 CA SER A 43 9.464 -15.466 -4.350 1.00 0.00 C ATOM 617 C SER A 43 9.269 -14.535 -3.152 1.00 0.00 C ATOM 618 O SER A 43 9.835 -13.443 -3.111 1.00 0.00 O ATOM 619 CB SER A 43 8.475 -15.114 -5.463 1.00 0.00 C ATOM 620 OG SER A 43 8.775 -13.859 -6.066 1.00 0.00 O ATOM 0 H SER A 43 8.826 -17.446 -4.603 1.00 0.00 H new ATOM 0 HA SER A 43 10.472 -15.336 -4.743 1.00 0.00 H new ATOM 0 HB2 SER A 43 8.492 -15.895 -6.223 1.00 0.00 H new ATOM 0 HB3 SER A 43 7.464 -15.088 -5.055 1.00 0.00 H new ATOM 0 HG SER A 43 8.122 -13.671 -6.772 1.00 0.00 H new ATOM 626 N ARG A 44 8.466 -14.999 -2.206 1.00 0.00 N ATOM 627 CA ARG A 44 8.189 -14.221 -1.010 1.00 0.00 C ATOM 628 C ARG A 44 8.368 -15.086 0.239 1.00 0.00 C ATOM 629 O ARG A 44 8.775 -16.243 0.144 1.00 0.00 O ATOM 630 CB ARG A 44 6.766 -13.661 -1.035 1.00 0.00 C ATOM 631 CG ARG A 44 6.491 -12.921 -2.346 1.00 0.00 C ATOM 632 CD ARG A 44 6.538 -11.405 -2.140 1.00 0.00 C ATOM 633 NE ARG A 44 6.240 -10.712 -3.414 1.00 0.00 N ATOM 634 CZ ARG A 44 6.602 -9.451 -3.685 1.00 0.00 C ATOM 635 NH1 ARG A 44 7.276 -8.736 -2.773 1.00 0.00 N ATOM 636 NH2 ARG A 44 6.289 -8.903 -4.867 1.00 0.00 N ATOM 0 H ARG A 44 7.998 -15.904 -2.243 1.00 0.00 H new ATOM 0 HA ARG A 44 8.894 -13.390 -0.984 1.00 0.00 H new ATOM 0 HB2 ARG A 44 6.049 -14.473 -0.915 1.00 0.00 H new ATOM 0 HB3 ARG A 44 6.623 -12.983 -0.194 1.00 0.00 H new ATOM 0 HG2 ARG A 44 7.228 -13.213 -3.094 1.00 0.00 H new ATOM 0 HG3 ARG A 44 5.513 -13.209 -2.732 1.00 0.00 H new ATOM 0 HD2 ARG A 44 5.816 -11.111 -1.379 1.00 0.00 H new ATOM 0 HD3 ARG A 44 7.522 -11.109 -1.777 1.00 0.00 H new ATOM 0 HE ARG A 44 5.727 -11.227 -4.130 1.00 0.00 H new ATOM 0 HH11 ARG A 44 7.513 -9.152 -1.872 1.00 0.00 H new ATOM 0 HH12 ARG A 44 7.552 -7.776 -2.980 1.00 0.00 H new ATOM 0 HH21 ARG A 44 5.775 -9.446 -5.561 1.00 0.00 H new ATOM 0 HH22 ARG A 44 6.565 -7.943 -5.073 1.00 0.00 H new ATOM 650 N SER A 45 8.053 -14.492 1.381 1.00 0.00 N ATOM 651 CA SER A 45 8.173 -15.194 2.647 1.00 0.00 C ATOM 652 C SER A 45 6.817 -15.772 3.056 1.00 0.00 C ATOM 653 O SER A 45 5.780 -15.357 2.541 1.00 0.00 O ATOM 654 CB SER A 45 8.707 -14.268 3.742 1.00 0.00 C ATOM 655 OG SER A 45 9.572 -13.264 3.217 1.00 0.00 O ATOM 0 H SER A 45 7.715 -13.533 1.456 1.00 0.00 H new ATOM 0 HA SER A 45 8.885 -16.010 2.519 1.00 0.00 H new ATOM 0 HB2 SER A 45 7.871 -13.794 4.255 1.00 0.00 H new ATOM 0 HB3 SER A 45 9.244 -14.857 4.485 1.00 0.00 H new ATOM 0 HG SER A 45 9.890 -12.692 3.947 1.00 0.00 H new ATOM 661 N PRO A 46 6.870 -16.747 4.003 1.00 0.00 N ATOM 662 CA PRO A 46 5.658 -17.386 4.487 1.00 0.00 C ATOM 663 C PRO A 46 4.890 -16.461 5.433 1.00 0.00 C ATOM 664 O PRO A 46 3.678 -16.599 5.594 1.00 0.00 O ATOM 665 CB PRO A 46 6.129 -18.665 5.160 1.00 0.00 C ATOM 666 CG PRO A 46 7.611 -18.468 5.437 1.00 0.00 C ATOM 667 CD PRO A 46 8.079 -17.265 4.636 1.00 0.00 C ATOM 0 HA PRO A 46 4.952 -17.609 3.687 1.00 0.00 H new ATOM 0 HB2 PRO A 46 5.579 -18.846 6.084 1.00 0.00 H new ATOM 0 HB3 PRO A 46 5.963 -19.529 4.516 1.00 0.00 H new ATOM 0 HG2 PRO A 46 7.782 -18.308 6.501 1.00 0.00 H new ATOM 0 HG3 PRO A 46 8.174 -19.357 5.154 1.00 0.00 H new ATOM 0 HD2 PRO A 46 8.541 -16.516 5.280 1.00 0.00 H new ATOM 0 HD3 PRO A 46 8.824 -17.550 3.893 1.00 0.00 H new ATOM 675 N GLU A 47 5.627 -15.538 6.033 1.00 0.00 N ATOM 676 CA GLU A 47 5.030 -14.590 6.959 1.00 0.00 C ATOM 677 C GLU A 47 4.267 -13.507 6.192 1.00 0.00 C ATOM 678 O GLU A 47 3.383 -12.856 6.746 1.00 0.00 O ATOM 679 CB GLU A 47 6.092 -13.971 7.870 1.00 0.00 C ATOM 680 CG GLU A 47 6.607 -14.993 8.885 1.00 0.00 C ATOM 681 CD GLU A 47 7.243 -14.297 10.090 1.00 0.00 C ATOM 682 OE1 GLU A 47 8.066 -13.388 9.851 1.00 0.00 O ATOM 683 OE2 GLU A 47 6.891 -14.691 11.224 1.00 0.00 O ATOM 0 H GLU A 47 6.632 -15.426 5.896 1.00 0.00 H new ATOM 0 HA GLU A 47 4.323 -15.126 7.592 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.922 -13.601 7.268 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.671 -13.113 8.394 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.785 -15.626 9.218 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.339 -15.646 8.410 1.00 0.00 H new ATOM 690 N GLU A 48 4.638 -13.349 4.930 1.00 0.00 N ATOM 691 CA GLU A 48 4.000 -12.357 4.082 1.00 0.00 C ATOM 692 C GLU A 48 2.748 -12.945 3.427 1.00 0.00 C ATOM 693 O GLU A 48 1.752 -12.247 3.245 1.00 0.00 O ATOM 694 CB GLU A 48 4.974 -11.829 3.027 1.00 0.00 C ATOM 695 CG GLU A 48 6.248 -11.287 3.679 1.00 0.00 C ATOM 696 CD GLU A 48 7.431 -11.356 2.711 1.00 0.00 C ATOM 697 OE1 GLU A 48 7.275 -12.032 1.671 1.00 0.00 O ATOM 698 OE2 GLU A 48 8.464 -10.730 3.033 1.00 0.00 O ATOM 0 H GLU A 48 5.372 -13.891 4.475 1.00 0.00 H new ATOM 0 HA GLU A 48 3.699 -11.515 4.705 1.00 0.00 H new ATOM 0 HB2 GLU A 48 5.229 -12.628 2.330 1.00 0.00 H new ATOM 0 HB3 GLU A 48 4.495 -11.041 2.446 1.00 0.00 H new ATOM 0 HG2 GLU A 48 6.090 -10.255 3.993 1.00 0.00 H new ATOM 0 HG3 GLU A 48 6.474 -11.862 4.577 1.00 0.00 H new ATOM 705 N CYS A 49 2.840 -14.223 3.090 1.00 0.00 N ATOM 706 CA CYS A 49 1.728 -14.912 2.459 1.00 0.00 C ATOM 707 C CYS A 49 0.484 -14.712 3.327 1.00 0.00 C ATOM 708 O CYS A 49 -0.637 -14.697 2.818 1.00 0.00 O ATOM 709 CB CYS A 49 2.034 -16.395 2.235 1.00 0.00 C ATOM 710 SG CYS A 49 3.350 -16.579 0.977 1.00 0.00 S ATOM 0 H CYS A 49 3.668 -14.799 3.242 1.00 0.00 H new ATOM 0 HA CYS A 49 1.552 -14.491 1.469 1.00 0.00 H new ATOM 0 HB2 CYS A 49 2.348 -16.856 3.172 1.00 0.00 H new ATOM 0 HB3 CYS A 49 1.133 -16.916 1.910 1.00 0.00 H new ATOM 0 HG CYS A 49 4.469 -16.114 1.448 1.00 0.00 H new ATOM 716 N GLN A 50 0.722 -14.562 4.621 1.00 0.00 N ATOM 717 CA GLN A 50 -0.365 -14.363 5.564 1.00 0.00 C ATOM 718 C GLN A 50 -0.882 -12.925 5.482 1.00 0.00 C ATOM 719 O GLN A 50 -2.089 -12.699 5.408 1.00 0.00 O ATOM 720 CB GLN A 50 0.075 -14.706 6.989 1.00 0.00 C ATOM 721 CG GLN A 50 -1.032 -14.388 7.996 1.00 0.00 C ATOM 722 CD GLN A 50 -0.466 -14.269 9.413 1.00 0.00 C ATOM 723 OE1 GLN A 50 -0.408 -13.200 9.999 1.00 0.00 O ATOM 724 NE2 GLN A 50 -0.052 -15.423 9.929 1.00 0.00 N ATOM 0 H GLN A 50 1.652 -14.574 5.039 1.00 0.00 H new ATOM 0 HA GLN A 50 -1.179 -15.038 5.298 1.00 0.00 H new ATOM 0 HB2 GLN A 50 0.333 -15.763 7.049 1.00 0.00 H new ATOM 0 HB3 GLN A 50 0.974 -14.143 7.241 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -1.525 -13.456 7.718 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -1.790 -15.171 7.968 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -0.129 -16.282 9.384 1.00 0.00 H new ATOM 0 HE22 GLN A 50 0.343 -15.449 10.869 1.00 0.00 H new ATOM 733 N ARG A 51 0.057 -11.990 5.498 1.00 0.00 N ATOM 734 CA ARG A 51 -0.289 -10.581 5.426 1.00 0.00 C ATOM 735 C ARG A 51 -0.892 -10.251 4.059 1.00 0.00 C ATOM 736 O ARG A 51 -1.938 -9.610 3.976 1.00 0.00 O ATOM 737 CB ARG A 51 0.939 -9.700 5.660 1.00 0.00 C ATOM 738 CG ARG A 51 0.930 -9.110 7.072 1.00 0.00 C ATOM 739 CD ARG A 51 2.188 -9.513 7.843 1.00 0.00 C ATOM 740 NE ARG A 51 2.086 -9.064 9.250 1.00 0.00 N ATOM 741 CZ ARG A 51 3.115 -9.039 10.107 1.00 0.00 C ATOM 742 NH1 ARG A 51 4.330 -9.438 9.707 1.00 0.00 N ATOM 743 NH2 ARG A 51 2.929 -8.616 11.365 1.00 0.00 N ATOM 0 H ARG A 51 1.057 -12.181 5.560 1.00 0.00 H new ATOM 0 HA ARG A 51 -1.021 -10.379 6.208 1.00 0.00 H new ATOM 0 HB2 ARG A 51 1.845 -10.287 5.513 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.958 -8.895 4.926 1.00 0.00 H new ATOM 0 HG2 ARG A 51 0.866 -8.023 7.015 1.00 0.00 H new ATOM 0 HG3 ARG A 51 0.045 -9.454 7.608 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.316 -10.595 7.806 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.068 -9.072 7.375 1.00 0.00 H new ATOM 0 HE ARG A 51 1.175 -8.754 9.588 1.00 0.00 H new ATOM 0 HH11 ARG A 51 4.471 -9.761 8.750 1.00 0.00 H new ATOM 0 HH12 ARG A 51 5.114 -9.419 10.360 1.00 0.00 H new ATOM 0 HH21 ARG A 51 2.004 -8.313 11.670 1.00 0.00 H new ATOM 0 HH22 ARG A 51 3.713 -8.597 12.018 1.00 0.00 H new ATOM 757 N LYS A 52 -0.206 -10.705 3.021 1.00 0.00 N ATOM 758 CA LYS A 52 -0.660 -10.466 1.661 1.00 0.00 C ATOM 759 C LYS A 52 -2.054 -11.071 1.481 1.00 0.00 C ATOM 760 O LYS A 52 -3.026 -10.347 1.270 1.00 0.00 O ATOM 761 CB LYS A 52 0.369 -10.983 0.654 1.00 0.00 C ATOM 762 CG LYS A 52 -0.279 -11.245 -0.707 1.00 0.00 C ATOM 763 CD LYS A 52 -0.838 -9.953 -1.306 1.00 0.00 C ATOM 764 CE LYS A 52 -0.108 -9.588 -2.600 1.00 0.00 C ATOM 765 NZ LYS A 52 -1.045 -8.977 -3.569 1.00 0.00 N ATOM 0 H LYS A 52 0.661 -11.237 3.094 1.00 0.00 H new ATOM 0 HA LYS A 52 -0.748 -9.396 1.471 1.00 0.00 H new ATOM 0 HB2 LYS A 52 1.173 -10.255 0.544 1.00 0.00 H new ATOM 0 HB3 LYS A 52 0.820 -11.902 1.029 1.00 0.00 H new ATOM 0 HG2 LYS A 52 0.456 -11.677 -1.386 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.080 -11.976 -0.598 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -1.903 -10.072 -1.506 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.737 -9.141 -0.586 1.00 0.00 H new ATOM 0 HE2 LYS A 52 0.704 -8.894 -2.383 1.00 0.00 H new ATOM 0 HE3 LYS A 52 0.343 -10.480 -3.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -0.670 -9.090 -4.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -1.971 -9.446 -3.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -1.153 -7.965 -3.356 1.00 0.00 H new ATOM 779 N TYR A 53 -2.107 -12.392 1.569 1.00 0.00 N ATOM 780 CA TYR A 53 -3.366 -13.101 1.418 1.00 0.00 C ATOM 781 C TYR A 53 -4.479 -12.421 2.219 1.00 0.00 C ATOM 782 O TYR A 53 -5.532 -12.096 1.672 1.00 0.00 O ATOM 783 CB TYR A 53 -3.131 -14.503 1.985 1.00 0.00 C ATOM 784 CG TYR A 53 -4.359 -15.413 1.926 1.00 0.00 C ATOM 785 CD1 TYR A 53 -5.345 -15.304 2.885 1.00 0.00 C ATOM 786 CD2 TYR A 53 -4.482 -16.342 0.912 1.00 0.00 C ATOM 787 CE1 TYR A 53 -6.502 -16.161 2.830 1.00 0.00 C ATOM 788 CE2 TYR A 53 -5.638 -17.198 0.857 1.00 0.00 C ATOM 789 CZ TYR A 53 -6.591 -17.065 1.818 1.00 0.00 C ATOM 790 OH TYR A 53 -7.683 -17.874 1.765 1.00 0.00 O ATOM 0 H TYR A 53 -1.299 -12.989 1.743 1.00 0.00 H new ATOM 0 HA TYR A 53 -3.673 -13.118 0.372 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -2.316 -14.974 1.435 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.807 -14.415 3.022 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -5.250 -14.576 3.677 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -3.711 -16.426 0.160 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -7.280 -16.087 3.575 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -5.746 -17.930 0.070 1.00 0.00 H new ATOM 0 HH TYR A 53 -7.419 -18.795 1.973 1.00 0.00 H new ATOM 800 N MET A 54 -4.207 -12.227 3.501 1.00 0.00 N ATOM 801 CA MET A 54 -5.172 -11.591 4.382 1.00 0.00 C ATOM 802 C MET A 54 -5.847 -10.404 3.691 1.00 0.00 C ATOM 803 O MET A 54 -7.058 -10.221 3.805 1.00 0.00 O ATOM 804 CB MET A 54 -4.466 -11.109 5.650 1.00 0.00 C ATOM 805 CG MET A 54 -4.411 -12.218 6.703 1.00 0.00 C ATOM 806 SD MET A 54 -5.590 -11.885 8.002 1.00 0.00 S ATOM 807 CE MET A 54 -4.935 -10.347 8.628 1.00 0.00 C ATOM 0 H MET A 54 -3.333 -12.499 3.951 1.00 0.00 H new ATOM 0 HA MET A 54 -5.939 -12.322 4.638 1.00 0.00 H new ATOM 0 HB2 MET A 54 -3.455 -10.784 5.406 1.00 0.00 H new ATOM 0 HB3 MET A 54 -4.990 -10.243 6.055 1.00 0.00 H new ATOM 0 HG2 MET A 54 -4.629 -13.181 6.241 1.00 0.00 H new ATOM 0 HG3 MET A 54 -3.406 -12.285 7.121 1.00 0.00 H new ATOM 0 HE1 MET A 54 -5.132 -10.276 9.698 1.00 0.00 H new ATOM 0 HE2 MET A 54 -3.860 -10.312 8.454 1.00 0.00 H new ATOM 0 HE3 MET A 54 -5.413 -9.512 8.115 1.00 0.00 H new ATOM 817 N GLU A 55 -5.034 -9.629 2.989 1.00 0.00 N ATOM 818 CA GLU A 55 -5.537 -8.465 2.279 1.00 0.00 C ATOM 819 C GLU A 55 -6.574 -8.886 1.236 1.00 0.00 C ATOM 820 O GLU A 55 -7.648 -8.293 1.147 1.00 0.00 O ATOM 821 CB GLU A 55 -4.394 -7.681 1.631 1.00 0.00 C ATOM 822 CG GLU A 55 -3.429 -7.143 2.689 1.00 0.00 C ATOM 823 CD GLU A 55 -3.343 -5.617 2.628 1.00 0.00 C ATOM 824 OE1 GLU A 55 -3.259 -5.098 1.493 1.00 0.00 O ATOM 825 OE2 GLU A 55 -3.364 -5.003 3.716 1.00 0.00 O ATOM 0 H GLU A 55 -4.030 -9.784 2.896 1.00 0.00 H new ATOM 0 HA GLU A 55 -6.022 -7.806 2.999 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -3.855 -8.325 0.936 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -4.800 -6.853 1.049 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -3.761 -7.453 3.680 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.439 -7.573 2.536 1.00 0.00 H new ATOM 832 N ASN A 56 -6.216 -9.908 0.472 1.00 0.00 N ATOM 833 CA ASN A 56 -7.102 -10.416 -0.562 1.00 0.00 C ATOM 834 C ASN A 56 -7.340 -11.910 -0.335 1.00 0.00 C ATOM 835 O ASN A 56 -6.770 -12.746 -1.034 1.00 0.00 O ATOM 836 CB ASN A 56 -6.485 -10.241 -1.951 1.00 0.00 C ATOM 837 CG ASN A 56 -7.034 -8.991 -2.641 1.00 0.00 C ATOM 838 OD1 ASN A 56 -8.151 -8.962 -3.131 1.00 0.00 O ATOM 839 ND2 ASN A 56 -6.190 -7.964 -2.653 1.00 0.00 N ATOM 0 H ASN A 56 -5.325 -10.398 0.548 1.00 0.00 H new ATOM 0 HA ASN A 56 -8.036 -9.857 -0.510 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -5.401 -10.167 -1.865 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -6.697 -11.120 -2.560 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -6.463 -7.084 -3.091 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -5.269 -8.056 -2.224 1.00 0.00 H new ATOM 846 N PRO A 57 -8.205 -12.208 0.671 1.00 0.00 N ATOM 847 CA PRO A 57 -8.525 -13.587 0.999 1.00 0.00 C ATOM 848 C PRO A 57 -9.471 -14.192 -0.040 1.00 0.00 C ATOM 849 O PRO A 57 -9.639 -13.642 -1.127 1.00 0.00 O ATOM 850 CB PRO A 57 -9.132 -13.529 2.392 1.00 0.00 C ATOM 851 CG PRO A 57 -9.555 -12.085 2.603 1.00 0.00 C ATOM 852 CD PRO A 57 -8.899 -11.244 1.520 1.00 0.00 C ATOM 0 HA PRO A 57 -7.650 -14.236 0.987 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -9.986 -14.202 2.474 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -8.409 -13.838 3.146 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -10.640 -11.994 2.552 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -9.252 -11.739 3.591 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -9.640 -10.679 0.954 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -8.205 -10.520 1.947 1.00 0.00 H new ATOM 860 N ARG A 58 -10.065 -15.317 0.331 1.00 0.00 N ATOM 861 CA ARG A 58 -10.989 -16.003 -0.556 1.00 0.00 C ATOM 862 C ARG A 58 -12.399 -15.432 -0.397 1.00 0.00 C ATOM 863 O ARG A 58 -13.168 -15.891 0.446 1.00 0.00 O ATOM 864 CB ARG A 58 -11.019 -17.505 -0.265 1.00 0.00 C ATOM 865 CG ARG A 58 -11.648 -18.276 -1.427 1.00 0.00 C ATOM 866 CD ARG A 58 -12.281 -19.581 -0.941 1.00 0.00 C ATOM 867 NE ARG A 58 -13.493 -19.883 -1.735 1.00 0.00 N ATOM 868 CZ ARG A 58 -14.490 -20.673 -1.314 1.00 0.00 C ATOM 869 NH1 ARG A 58 -14.425 -21.247 -0.105 1.00 0.00 N ATOM 870 NH2 ARG A 58 -15.551 -20.890 -2.103 1.00 0.00 N ATOM 0 H ARG A 58 -9.924 -15.770 1.234 1.00 0.00 H new ATOM 0 HA ARG A 58 -10.644 -15.849 -1.578 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -10.005 -17.866 -0.091 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -11.585 -17.691 0.648 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -12.405 -17.658 -1.910 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -10.888 -18.494 -2.177 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -11.565 -20.398 -1.031 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -12.539 -19.498 0.115 1.00 0.00 H new ATOM 0 HE ARG A 58 -13.574 -19.463 -2.661 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -13.617 -21.083 0.495 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -15.184 -21.848 0.216 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -15.600 -20.454 -3.024 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -16.310 -21.491 -1.783 1.00 0.00 H new ATOM 884 N GLY A 59 -12.697 -14.438 -1.221 1.00 0.00 N ATOM 885 CA GLY A 59 -14.001 -13.798 -1.183 1.00 0.00 C ATOM 886 C GLY A 59 -14.457 -13.399 -2.588 1.00 0.00 C ATOM 887 O GLY A 59 -14.584 -14.249 -3.468 1.00 0.00 O ATOM 0 H GLY A 59 -12.057 -14.060 -1.920 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -14.730 -14.476 -0.739 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -13.958 -12.914 -0.546 1.00 0.00 H new ATOM 891 N LYS A 60 -14.691 -12.106 -2.754 1.00 0.00 N ATOM 892 CA LYS A 60 -15.130 -11.583 -4.037 1.00 0.00 C ATOM 893 C LYS A 60 -14.516 -10.199 -4.257 1.00 0.00 C ATOM 894 O LYS A 60 -14.865 -9.244 -3.565 1.00 0.00 O ATOM 895 CB LYS A 60 -16.657 -11.600 -4.128 1.00 0.00 C ATOM 896 CG LYS A 60 -17.120 -11.680 -5.584 1.00 0.00 C ATOM 897 CD LYS A 60 -18.641 -11.548 -5.685 1.00 0.00 C ATOM 898 CE LYS A 60 -19.031 -10.421 -6.643 1.00 0.00 C ATOM 899 NZ LYS A 60 -19.439 -10.974 -7.954 1.00 0.00 N ATOM 0 H LYS A 60 -14.585 -11.404 -2.021 1.00 0.00 H new ATOM 0 HA LYS A 60 -14.778 -12.220 -4.848 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -17.048 -12.451 -3.571 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -17.062 -10.701 -3.663 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -16.644 -10.890 -6.164 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -16.804 -12.629 -6.018 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -19.069 -12.489 -6.031 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -19.059 -11.352 -4.698 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -19.848 -9.840 -6.217 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -18.190 -9.740 -6.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -19.701 -10.196 -8.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -18.648 -11.509 -8.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -20.255 -11.606 -7.826 1.00 0.00 H new ATOM 913 N GLY A 61 -13.611 -10.136 -5.223 1.00 0.00 N ATOM 914 CA GLY A 61 -12.945 -8.884 -5.542 1.00 0.00 C ATOM 915 C GLY A 61 -12.366 -8.234 -4.284 1.00 0.00 C ATOM 916 O GLY A 61 -12.437 -8.806 -3.197 1.00 0.00 O ATOM 0 H GLY A 61 -13.324 -10.930 -5.795 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -12.147 -9.066 -6.262 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -13.652 -8.202 -6.015 1.00 0.00 H new ATOM 920 N SER A 62 -11.807 -7.048 -4.473 1.00 0.00 N ATOM 921 CA SER A 62 -11.216 -6.314 -3.367 1.00 0.00 C ATOM 922 C SER A 62 -10.666 -4.976 -3.862 1.00 0.00 C ATOM 923 O SER A 62 -9.847 -4.938 -4.779 1.00 0.00 O ATOM 924 CB SER A 62 -10.108 -7.128 -2.695 1.00 0.00 C ATOM 925 OG SER A 62 -9.935 -6.767 -1.327 1.00 0.00 O ATOM 0 H SER A 62 -11.751 -6.577 -5.376 1.00 0.00 H new ATOM 0 HA SER A 62 -11.993 -6.128 -2.626 1.00 0.00 H new ATOM 0 HB2 SER A 62 -10.346 -8.190 -2.762 1.00 0.00 H new ATOM 0 HB3 SER A 62 -9.171 -6.977 -3.231 1.00 0.00 H new ATOM 0 HG SER A 62 -9.338 -7.411 -0.892 1.00 0.00 H new ATOM 931 N GLN A 63 -11.138 -3.909 -3.233 1.00 0.00 N ATOM 932 CA GLN A 63 -10.703 -2.572 -3.598 1.00 0.00 C ATOM 933 C GLN A 63 -9.527 -2.138 -2.720 1.00 0.00 C ATOM 934 O GLN A 63 -9.642 -2.102 -1.496 1.00 0.00 O ATOM 935 CB GLN A 63 -11.858 -1.574 -3.499 1.00 0.00 C ATOM 936 CG GLN A 63 -11.486 -0.238 -4.146 1.00 0.00 C ATOM 937 CD GLN A 63 -11.760 -0.262 -5.651 1.00 0.00 C ATOM 938 OE1 GLN A 63 -11.400 -1.189 -6.359 1.00 0.00 O ATOM 939 NE2 GLN A 63 -12.415 0.805 -6.099 1.00 0.00 N ATOM 0 H GLN A 63 -11.817 -3.944 -2.473 1.00 0.00 H new ATOM 0 HA GLN A 63 -10.369 -2.590 -4.636 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -12.741 -1.985 -3.988 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -12.117 -1.415 -2.452 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -12.057 0.566 -3.682 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -10.432 -0.025 -3.968 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -12.687 1.545 -5.452 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -12.645 0.883 -7.090 1.00 0.00 H new ATOM 948 N LYS A 64 -8.424 -1.818 -3.380 1.00 0.00 N ATOM 949 CA LYS A 64 -7.228 -1.388 -2.675 1.00 0.00 C ATOM 950 C LYS A 64 -6.192 -0.898 -3.689 1.00 0.00 C ATOM 951 O LYS A 64 -5.487 -1.700 -4.299 1.00 0.00 O ATOM 952 CB LYS A 64 -6.715 -2.503 -1.762 1.00 0.00 C ATOM 953 CG LYS A 64 -6.787 -2.084 -0.292 1.00 0.00 C ATOM 954 CD LYS A 64 -6.244 -3.186 0.620 1.00 0.00 C ATOM 955 CE LYS A 64 -6.970 -3.191 1.967 1.00 0.00 C ATOM 956 NZ LYS A 64 -6.259 -2.335 2.942 1.00 0.00 N ATOM 0 H LYS A 64 -8.333 -1.848 -4.395 1.00 0.00 H new ATOM 0 HA LYS A 64 -7.454 -0.548 -2.018 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -7.307 -3.405 -1.916 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -5.686 -2.748 -2.024 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -6.214 -1.169 -0.143 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.820 -1.861 -0.024 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -6.363 -4.155 0.135 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -5.176 -3.038 0.779 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -7.992 -2.834 1.838 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -7.035 -4.210 2.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -6.765 -2.350 3.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -5.292 -2.693 3.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -6.219 -1.360 2.584 1.00 0.00 H new ATOM 970 N HIS A 65 -6.134 0.418 -3.838 1.00 0.00 N ATOM 971 CA HIS A 65 -5.196 1.024 -4.767 1.00 0.00 C ATOM 972 C HIS A 65 -3.847 1.230 -4.074 1.00 0.00 C ATOM 973 O HIS A 65 -2.839 0.662 -4.490 1.00 0.00 O ATOM 974 CB HIS A 65 -5.768 2.319 -5.348 1.00 0.00 C ATOM 975 CG HIS A 65 -6.940 2.111 -6.277 1.00 0.00 C ATOM 976 ND1 HIS A 65 -7.370 3.077 -7.169 1.00 0.00 N ATOM 977 CD2 HIS A 65 -7.765 1.037 -6.444 1.00 0.00 C ATOM 978 CE1 HIS A 65 -8.409 2.597 -7.837 1.00 0.00 C ATOM 979 NE2 HIS A 65 -8.652 1.333 -7.385 1.00 0.00 N ATOM 0 H HIS A 65 -6.721 1.080 -3.331 1.00 0.00 H new ATOM 0 HA HIS A 65 -5.032 0.355 -5.612 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -6.078 2.967 -4.528 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -4.979 2.843 -5.887 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -7.706 0.105 -5.902 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -8.965 3.115 -8.604 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -9.394 0.717 -7.716 1.00 0.00 H new ATOM 987 N VAL A 66 -3.873 2.045 -3.030 1.00 0.00 N ATOM 988 CA VAL A 66 -2.665 2.333 -2.275 1.00 0.00 C ATOM 989 C VAL A 66 -1.491 2.496 -3.243 1.00 0.00 C ATOM 990 O VAL A 66 -0.480 1.806 -3.120 1.00 0.00 O ATOM 991 CB VAL A 66 -2.429 1.242 -1.228 1.00 0.00 C ATOM 992 CG1 VAL A 66 -3.328 1.451 -0.008 1.00 0.00 C ATOM 993 CG2 VAL A 66 -2.636 -0.149 -1.830 1.00 0.00 C ATOM 0 H VAL A 66 -4.711 2.515 -2.689 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.770 3.271 -1.730 1.00 0.00 H new ATOM 0 HB VAL A 66 -1.393 1.313 -0.897 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.141 0.663 0.721 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.112 2.420 0.442 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.373 1.419 -0.316 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -2.462 -0.906 -1.065 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -3.657 -0.236 -2.202 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -1.937 -0.297 -2.653 1.00 0.00 H new ATOM 1003 N THR A 67 -1.665 3.412 -4.184 1.00 0.00 N ATOM 1004 CA THR A 67 -0.632 3.674 -5.173 1.00 0.00 C ATOM 1005 C THR A 67 0.567 4.364 -4.521 1.00 0.00 C ATOM 1006 O THR A 67 1.653 3.791 -4.446 1.00 0.00 O ATOM 1007 CB THR A 67 -1.259 4.488 -6.307 1.00 0.00 C ATOM 1008 OG1 THR A 67 -1.880 3.509 -7.135 1.00 0.00 O ATOM 1009 CG2 THR A 67 -0.210 5.132 -7.215 1.00 0.00 C ATOM 0 H THR A 67 -2.505 3.982 -4.283 1.00 0.00 H new ATOM 0 HA THR A 67 -0.244 2.747 -5.595 1.00 0.00 H new ATOM 0 HB THR A 67 -1.899 5.263 -5.886 1.00 0.00 H new ATOM 0 HG1 THR A 67 -2.313 3.951 -7.895 1.00 0.00 H new ATOM 0 HG21 THR A 67 -0.708 5.698 -8.002 1.00 0.00 H new ATOM 0 HG22 THR A 67 0.417 5.803 -6.628 1.00 0.00 H new ATOM 0 HG23 THR A 67 0.410 4.355 -7.663 1.00 0.00 H new ATOM 1017 N SER A 68 0.331 5.586 -4.065 1.00 0.00 N ATOM 1018 CA SER A 68 1.378 6.360 -3.421 1.00 0.00 C ATOM 1019 C SER A 68 2.481 6.689 -4.430 1.00 0.00 C ATOM 1020 O SER A 68 2.844 5.850 -5.253 1.00 0.00 O ATOM 1021 CB SER A 68 1.961 5.609 -2.223 1.00 0.00 C ATOM 1022 OG SER A 68 1.336 5.988 -1.000 1.00 0.00 O ATOM 0 H SER A 68 -0.571 6.059 -4.129 1.00 0.00 H new ATOM 0 HA SER A 68 0.941 7.289 -3.055 1.00 0.00 H new ATOM 0 HB2 SER A 68 1.841 4.536 -2.374 1.00 0.00 H new ATOM 0 HB3 SER A 68 3.031 5.804 -2.159 1.00 0.00 H new ATOM 0 HG SER A 68 1.735 5.485 -0.259 1.00 0.00 H new ATOM 1028 N GLY A 69 2.983 7.911 -4.332 1.00 0.00 N ATOM 1029 CA GLY A 69 4.037 8.360 -5.226 1.00 0.00 C ATOM 1030 C GLY A 69 4.167 9.884 -5.198 1.00 0.00 C ATOM 1031 O GLY A 69 3.447 10.586 -5.908 1.00 0.00 O ATOM 0 H GLY A 69 2.680 8.604 -3.648 1.00 0.00 H new ATOM 0 HA2 GLY A 69 4.984 7.905 -4.935 1.00 0.00 H new ATOM 0 HA3 GLY A 69 3.823 8.028 -6.242 1.00 0.00 H new ATOM 1035 N PRO A 70 5.114 10.365 -4.349 1.00 0.00 N ATOM 1036 CA PRO A 70 5.347 11.793 -4.219 1.00 0.00 C ATOM 1037 C PRO A 70 6.108 12.337 -5.431 1.00 0.00 C ATOM 1038 O PRO A 70 5.635 13.251 -6.106 1.00 0.00 O ATOM 1039 CB PRO A 70 6.116 11.950 -2.917 1.00 0.00 C ATOM 1040 CG PRO A 70 6.687 10.577 -2.603 1.00 0.00 C ATOM 1041 CD PRO A 70 5.985 9.565 -3.494 1.00 0.00 C ATOM 0 HA PRO A 70 4.422 12.369 -4.192 1.00 0.00 H new ATOM 0 HB2 PRO A 70 6.910 12.689 -3.019 1.00 0.00 H new ATOM 0 HB3 PRO A 70 5.462 12.294 -2.116 1.00 0.00 H new ATOM 0 HG2 PRO A 70 7.762 10.561 -2.781 1.00 0.00 H new ATOM 0 HG3 PRO A 70 6.534 10.331 -1.552 1.00 0.00 H new ATOM 0 HD2 PRO A 70 6.701 8.992 -4.083 1.00 0.00 H new ATOM 0 HD3 PRO A 70 5.412 8.849 -2.905 1.00 0.00 H new ATOM 1049 N SER A 71 7.272 11.753 -5.670 1.00 0.00 N ATOM 1050 CA SER A 71 8.102 12.167 -6.788 1.00 0.00 C ATOM 1051 C SER A 71 7.255 12.271 -8.058 1.00 0.00 C ATOM 1052 O SER A 71 6.316 11.500 -8.246 1.00 0.00 O ATOM 1053 CB SER A 71 9.263 11.194 -7.002 1.00 0.00 C ATOM 1054 OG SER A 71 10.490 11.874 -7.254 1.00 0.00 O ATOM 0 H SER A 71 7.661 10.996 -5.108 1.00 0.00 H new ATOM 0 HA SER A 71 8.522 13.146 -6.558 1.00 0.00 H new ATOM 0 HB2 SER A 71 9.373 10.562 -6.121 1.00 0.00 H new ATOM 0 HB3 SER A 71 9.035 10.536 -7.840 1.00 0.00 H new ATOM 0 HG SER A 71 11.207 11.218 -7.383 1.00 0.00 H new ATOM 1060 N SER A 72 7.619 13.230 -8.896 1.00 0.00 N ATOM 1061 CA SER A 72 6.904 13.445 -10.143 1.00 0.00 C ATOM 1062 C SER A 72 7.880 13.396 -11.321 1.00 0.00 C ATOM 1063 O SER A 72 7.727 12.575 -12.224 1.00 0.00 O ATOM 1064 CB SER A 72 6.158 14.780 -10.127 1.00 0.00 C ATOM 1065 OG SER A 72 4.875 14.683 -10.740 1.00 0.00 O ATOM 0 H SER A 72 8.399 13.867 -8.736 1.00 0.00 H new ATOM 0 HA SER A 72 6.167 12.650 -10.256 1.00 0.00 H new ATOM 0 HB2 SER A 72 6.043 15.118 -9.097 1.00 0.00 H new ATOM 0 HB3 SER A 72 6.751 15.533 -10.646 1.00 0.00 H new ATOM 0 HG SER A 72 4.430 15.556 -10.708 1.00 0.00 H new ATOM 1071 N GLY A 73 8.860 14.286 -11.273 1.00 0.00 N ATOM 1072 CA GLY A 73 9.860 14.354 -12.325 1.00 0.00 C ATOM 1073 C GLY A 73 10.001 15.782 -12.855 1.00 0.00 C ATOM 1074 O GLY A 73 10.064 15.996 -14.065 1.00 0.00 O ATOM 0 H GLY A 73 8.983 14.966 -10.523 1.00 0.00 H new ATOM 0 HA2 GLY A 73 10.820 14.008 -11.942 1.00 0.00 H new ATOM 0 HA3 GLY A 73 9.582 13.686 -13.140 1.00 0.00 H new TER 1078 GLY A 73